SCHEMBL2652329

SCHEMBL2652329

CCOC(=O)c1ccc2c(c1)ncn2-c1cccc(CNCc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
FGFR1 P11362 1/20 0.50
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
NMT2 O60551 2/20 0.46
NMT1 P30419 2/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
S1PR3 Q99500 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2652605 0.91 FGFR1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652993 0.88 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652429 0.87 FGFR1 (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652038 0.86 KMT2A (0.52) FGFR1KMT2AHPGDMEN1MAPK1
SCHEMBL2651905 0.86 TP53 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2652990 0.83 FGFR1 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2969712 0.80 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16082503 0.79 TP53 (0.67) KMT2AHPGDMEN1SMN1; SMN2TP53
SCHEMBL4500010 0.78 SMN1; SMN2 (0.56) KMT2AHPGDPOLBMEN1MAPK1
SCHEMBL30343744 0.78 FGFR1 (0.75) FGFR1HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US claimed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US claimed
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP claimed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO claimed
US-7776900-B2 Benzimidazole derivatives and their use for modulating the GABAAreceptor complex NEUROSEARCH A/S (DK) 2010-08-17 US disclosed
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex ANIONA APS (DK) 2009-01-29 US disclosed
EP-1874758-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2008-01-09 EP disclosed
WO-2006111516-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX NEUROSEARCH A/S (DK) 2006-10-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090030018-A1 Benzimidazole derivatives and their use for modulating the gabaalpha receptor complex GABRB2, GABRB1, GABRB3 GABRA1 8/4885GABRG2 20/4885GABRB3 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.